1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine

C14H29NO2 — CID 102928168

IUPAC1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-15-14(9-10-17-12-11-16-2)13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyUSHIYNJXCVVZEM-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds8

About 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine

1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine (PubChem CID 102928168) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
PubChem CID102928168
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine
SMILESCNC(CCOCCOC)C1CCCCCC1
InChIInChI=1S/C14H29NO2/c1-15-14(9-10-17-12-11-16-2)13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyUSHIYNJXCVVZEM-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-4-[2-(2-methoxyethoxy)ethoxy]-N-methylbutan-1-amine
CID 104564643
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512
1-cyclooctyl-4-methoxy-N-methylbutan-1-amine
CID 114856649
3-methoxy-N-methyl-1-(4-methylcyclohexyl)propan-1-amine
CID 62604714
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 104566896
1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
2-cyclopentyl-4-[2-(2-methoxyethoxy)ethoxy]butanoic acid
CID 113427269
[1-(4-ethylcyclohexyl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102930016
3-butoxy-1-cyclohexyl-N-ethylpropan-1-amine
CID 55095359
1-cyclobutyl-N-methyl-3-phenylmethoxypropan-1-amine
CID 131141450
(1-cyclohexyl-3-ethoxypropyl)hydrazine
CID 105282116
[1-chloro-5-(2-methoxyethoxy)pentyl]cyclopentane
CID 103411923

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The IUPAC name of 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine (CID 102928168) is 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The canonical SMILES for 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine is CNC(CCOCCOC)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
The InChIKey is USHIYNJXCVVZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-15-14(9-10-17-12-11-16-2)13-7-5-3-4-6-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine?
1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2-methoxyethoxy)-N-methylpropan-1-amine is sourced from PubChem (CID 102928168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).